SCHEMBL21055812

SCHEMBL21055812

CNc1nc(NCCc2ccccc2)nc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.79
ACHE P22303 11/20 0.79
BCHE P06276 9/20 0.79
SLC2A1 P11166 1/20 0.68
RAD52 P43351 1/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
UBE2N P61088 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RCE1 Q9Y256 1/20 0.57
PDE5A O76074 1/20 0.56
CASP6 P55212 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16280679 0.86 ACHE (0.80) APPACHEBCHERAD52KDM4E
SCHEMBL21055815 0.85 APP (0.59) APPACHEBCHESLC2A1KDM4E
SCHEMBL21055809 0.85 ACHE (0.59) APPACHEBCHESLC2A1LMNA
SCHEMBL21055811 0.84 APP (0.57) APPACHEBCHESLC2A1ALDH1A1
SCHEMBL23747984 0.83 APP (0.76) APPACHEBCHESLC2A1RAD52
SCHEMBL8547756 0.83 APP (0.76) APPACHEBCHESLC2A1PDE5A
SCHEMBL21055806 0.82 GRK6 (0.56) APPACHEBCHESLC2A1MAPT
SCHEMBL9776812 0.81 SLC2A1 (1.00) APPACHEBCHESLC2A1
SCHEMBL8544714 0.81 APP (0.72) APPACHEBCHESLC2A1RAD52
SCHEMBL14869419 0.79 APP (0.65) APPACHEBCHESLC2A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-18 US disclosed
US-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof NQO2, NQO1, NIT2 APP 742/4885ACHE 14/4885BCHE 224/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.